SCHEMBL20180075

SCHEMBL20180075

CCN(CC1CCC(n2cnc3c(N(C)C4CCCC4)nc(Cl)nc32)O1)C(=O)CP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NT5E P21589 14/20 0.55
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CD79B P40259 1/20 0.36
ADORA1 P30542 1/20 0.36
ADORA3 P0DMS8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20180089 0.85 NT5E (0.53) NT5EADORA1ADORA3
SCHEMBL20180074 0.85 NT5E (0.71) NT5ECD79BADORA1ADORA3
SCHEMBL20168760 0.79 NT5E (0.69) NT5ECD79BADORA1ADORA3
SCHEMBL20180013 0.74 ADORA3 (0.49) NT5EADORA1ADORA3
SCHEMBL22866387 0.73 NT5E (0.50) NT5EADORA1ADORA3
SCHEMBL24078851 0.73 NT5E (0.49) NT5EADORA1ADORA3
SCHEMBL24078850 0.72 NT5E (0.78) NT5E
SCHEMBL23345957 0.72 NT5E (0.76) NT5ECD79BADORA1ADORA3
SCHEMBL23345956 0.72 NT5E (0.76) NT5ECD79BADORA1ADORA3
SCHEMBL26283322 0.72 NT5E (0.76) NT5ECD79BADORA1ADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018094148-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ARCUS BIOSCIENCES, INC. (US) 2018-05-24 WO disclosed